K784-4538 Screening compound: 4-({[(4-chlorophenyl)methyl][(4-phenoxyphenyl)carbamothioyl]amino}methyl)benzoic acid

K784-4538 Screening compound: 4-({[(4-chlorophenyl)methyl][(4-phenoxyphenyl)carbamothioyl]amino}methyl)benzoic acid
K784-4538 Screening compound: 4-({[(4-chlorophenyl)methyl][(4-phenoxyphenyl)carbamothioyl]amino}methyl)benzoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound K784-4538
4-({[(4-chlorophenyl)methyl][(4-phenoxyphenyl)carbamothioyl]amino}methyl)benzoic acid

Available from 1 mg

Formats:

  • Glass Vials (4ml Glass Vials VWR #97047-678)
  • 96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

K784-4538

Molecular Formula

C28H23ClN2O3S (C28 H23 ClN2 O3 S)

Compound Name

4-({[(4-chlorophenyl)methyl][(4-phenoxyphenyl)carbamothioyl]amino}methyl)benzoic acid

IUPAC name

4-({[(4-chlorophenyl)methyl][(4-phenoxyphenyl)carbamothioyl]amino}methyl)benzoic acid

SMILES

OC(c1ccc(CN(Cc(cc2)ccc2Cl)C(Nc(cc2)ccc2Oc2ccccc2)=S)cc1)=O

InChI

InChI=1S/C28H23ClN2O3S/c29-23-12-8-21(9-13-23)19-31(18-20-6-10-22(11-7-20)27(32)33)28(35)30-24-14-16-26(17-15-24)34-25-4-2-1-3-5-25/h1-17H,18-19H2,(H,30,35)(H,32,33)

InChI Key

TZYSYSOGUSCHTE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03451096

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

503.02

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

7.236

Distribution Coefficient, logD

4.265

Water Solubility, LogSw

-6.22

Polar Surface Area

45.584

Acid Dissociation Constant (pKa)

4.43

Base Dissociation Constant (pKb)

-0.95

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

7.10

K784-4538 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

MCL1 Targeted Library (12200 compounds)

RAR (Nuclear receptors) Ligands Library (6524 compounds)

Histone Deacetylases (HDAC) Targeted Library (9760 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Cancer
  • Respiratory tract
  • Eye
  • Male
  • Female
  • Hemic and lymphatic
  • Congenital
  • Skin
  • Endocrine
  • Immune system
  • Cancer
  • Nervous system
  • Hemic and lymphatic
  • Endocrine
  • Immune system
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Nuclear receptors
  • Phosphatases
Mechanism of action:
  • Receptor's ligands
  • Epigenetic

References: we are preparing a list of scientific research reports with K784-4538 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K784-4538?
Check Price and Availability of K784-4538, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of K784-4538 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K784-4538
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K784-4538
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of K784-4538 available by request